UCSF

ZINC01148421

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 -7.81 -16.56 2 8 0 110 462.549 9
Hi High (pH 8-9.5) 3.96 -7.23 -43.33 1 8 -1 112 461.541 9
Hi High (pH 8-9.5) 3.96 -7.24 -47.45 1 8 -1 112 461.541 9
Hi High (pH 8-9.5) 3.96 -6.66 -95.32 0 8 -2 114 460.533 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )